SCHEMBL305469

SCHEMBL305469

CC(C)(c1ccc(N=C=O)cc1)c1ccc(N=C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.50
TSHR P16473 2/20 0.50
TRPA1 O75762 1/20 0.44
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 4/20 0.41
ESR2 Q92731 3/20 0.41
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41
ESRRG P62508 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP1A2 P05177 1/20 0.37
ALDH1A1 P00352 1/20 0.35
SLC22A2 O15244 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3177458 1.00 CYP3A4 (0.50) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL305480 1.00 CYP3A4 (0.50) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL22966365 0.94 CYP3A4 (0.45) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL22966434 0.94 CYP3A4 (0.45) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL14020958 0.92 CYP3A4 (0.44) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL28470737 0.92 CYP3A4 (0.48) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL13873042 0.90 ESR1 (0.59) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL6433133 0.89 CYP3A4 (0.71) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL1949466 0.89 TSHR (0.41) CYP3A4TSHRTRPA1MAPK1TDP1
SCHEMBL3182450 0.89 ESR1 (0.52) CYP3A4TSHRTRPA1MAPK1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2100 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12318748-B2 Microcapsules for use with polyurethane and epoxy adhesives THE JOHNS HOPKINS UNIVERSITY (US) 2025-06-03 US claimed
US-20240332628-A1 Silicon-Based Energy Storage Devices With Electrolyte Containing Cyanate Based Compounds ENEVATE CORP (US) 2024-10-03 US claimed
CN-118459436-A Preparation method and application of episulfide compound 益丰新材料股份有限公司 2024-08-09 CN claimed
US-20240240069-A1 POLYMERIZATION OF A SILANE-MODIFIED POLYMER, WHICH IS PRODUCED BY MEANS OF A RADICAL CHAIN POLYMERIZATION, IN A POLYOL OR IN A PREPOLYMER WITH TERMINAL ISOCYANATE GROUPS, AND USE THEREOF IN POLYURETHANE FORMULATIONS FOLLMANN GMBH & CO. KG (DE) 2024-07-18 US claimed
CN-118265735-A Electrodeposition coating composition and preparation thereof 巴斯夫涂料有限公司 2024-06-28 CN claimed
US-20240141093-A1 Polyol and a Process for the Preparation Thereof BASF SE (DE) 2024-05-02 US claimed
WO-2024083887-A1 FREE-RADICAL POLYMERISATION OF UV-CROSSLINKING SILANE ACRYLATES IN AN ISOCYANATE-CONTAINING POLYURETHANE MATRIX FOLLMANN GMBH & CO. KG (DE) 2024-04-25 WO claimed
EP-4326795-A1 POLYMERIZATION OF A SILANE-MODIFIED POLYMER, WHICH IS PRODUCED BY MEANS OF A RADICAL CHAIN POLYMERIZATION, IN A POLYOL OR IN A PREPOLYMER WITH TERMINAL ISOCYANATE GROUPS, AND USE THEREOF IN POLYURETHANE FORMULATIONS Follmann GmbH & Co. KG (DE) 2024-02-28 EP claimed
EP-4308629-A1 POLYOL AND A PROCESS FOR THE PREPARATION THEREOF BASF SE (DE) 2024-01-24 EP claimed
CN-116693790-A Composition for optical material and optical material 益丰新材料股份有限公司 2023-09-05 CN claimed
EP-0093321-A1 Sizing agent based on ketene dimers BAYER AG (DE) 1983-11-09 EP claimed
US-4386127-A SYNTHETIC LEATHER; SUEDE TORAY INDUSTRIES, INC. (JP) 1983-05-31 US claimed
US-4369302-A Curable resin composition comprising cyanate ester and polyisocyanate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1983-01-18 US claimed
EP-0048117-A2 In-mold coating compositions containing a non-isocyanate-reactive unsaturated resin, a non-isocyanate-reactive monomer and a free isocyanate-containing compound ICI AMERICAS INC. (US) 1982-03-24 EP claimed
US-4302493-A Dense, elegant and pliable sheet material comprising fibrous base impregnated with a diol-hindered amine polyurethane system TORAY INDUSTRIES, INCORPORATED (JP) 1981-11-24 US claimed
US-4286014-A CHAIN EXTENDER COMPRISING HYDRAZINE OR DERIVATIVE TORAY INDUSTRIES, INCORPORATED (JP) 1981-08-25 US claimed
EP-0033181-A1 Mixtures of branched-chain amines and derivatives thereof AKZO N.V. (NL) 1981-08-05 EP claimed
US-4129695-A POLYOXAZOLIDONE AND CARBODIIMIDE UNITS RHONE-POULENC INDUSTRIES (FR) 1978-12-12 US claimed
US-4088637-A Process for the production of polycondensates containing imide groups BAYER AKTIENGESELLSCHAFT (DT) 1978-05-09 US claimed
US-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US claimed